CID 3064574

Brn 3403116

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCC2=CC=CC=C2)O
InChI
InChI=1S/C18H21NO3/c1-22-17-12-15(10-11-16(17)20)13-19-18(21)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,19,21)
InChIKey
ISHGIHUSXUJBAR-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.2
[M+Na]+ 322.14135 176.4
[M-H]- 298.14485 176.1
[M+NH4]+ 317.18595 185.1
[M+K]+ 338.11529 172.3
[M+H-H2O]+ 282.14939 162.9
[M+HCOO]- 344.15033 193.5
[M+CH3COO]- 358.16598 204.3
[M+Na-2H]- 320.12680 174.3
[M]+ 299.15158 172.7
[M]- 299.15268 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.